Data quality metrics extracted from 8tbk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "b866bb7ebc39a72452e57298a5adc9b6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 65.47,
    "b": 83.57,
    "c": 126.21,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95375],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.92,1.26],
    "number_observations_unique": 183467,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07469
      },
      {
        "type": "R(meas)",
        "value": 0.08023
      },
      {
        "type": "R(pim)",
        "value": 0.02889
      },
      {
        "type": "I/SigI",
        "value": 11.03
      },
      {
        "type": "Completeness",
        "value": 98.27
      },
      {
        "type": "Redundancy",
        "value": 7.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.305,1.26],
      "number_observations_unique": 17699,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.949
        },
        {
          "type": "R(meas)",
          "value": 2.092
        },
        {
          "type": "R(pim)",
          "value": 0.7523
        },
        {
          "type": "Completeness",
          "value": 95.69
        },
        {
          "type": "Redundancy",
          "value": 7.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.367
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):